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1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-(2-methoxy-2-oxoethyl)-2-oxo-, methyl ester, (Z)-
SpectraBase Compound ID I1Buzhnm4kA
InChI InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-15(8-10-21(31)37-4)17(12-23(33)39-6)19(29-25)14-20-18(13-24(34)40-7)16(26(35)30-20)9-11-22(32)38-5/h14,29H,8-13H2,1-7H3,(H,30,35)/b20-14-
InChIKey KYBBEINBWBJLSW-ZHZULCJRSA-N
Mol Weight 576.6 g/mol
Molecular Formula C28H36N2O11
Exact Mass 576.23191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ULNGCaPQTB
Name 1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-(2-methoxy-2-oxoethyl)-2-oxo-, methyl ester, (Z)-
Alternate Name(s) t-Butyl 1,10-dihydro-2,8-bis(2-methoxycarbonylethyl)-3,7-bis(methyoxycarbonylimethyl)-1-oxodipyrrin-9-carboxylate tert-Butyl 4-(2-methoxy-2-oxoethyl)-5-{(Z)-[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 118826-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O11
InChI InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-15(8-10-21(31)37-4)17(12-23(33)39-6)19(29-25)14-20-18(13-24(34)40-7)16(26(35)30-20)9-11-22(32)38-5/h14,29H,8-13H2,1-7H3,(H,30,35)/b20-14-
InChIKey KYBBEINBWBJLSW-ZHZULCJRSA-N
Molecular Weight 576.599 g/mol
SMILES [nH]1c(\C=C/2C(=C(C(N2)=O)CCC(=O)OC)CC(=O)OC)c(c(CCC(=O)OC)c1C(OC(C)(C)C)=O)CC(=O)OC
SPLASH splash10-0ac0-0091150000-3cd32398bc526a99e6b4
Source of Spectrum KC-1988-1564-19
Wiley ID 1408171